1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride

C10H14ClNO2S — CID 5337630

IUPAC1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO2S.ClH/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H
InChIKeyPLENVCPOHVISCH-UHFFFAOYSA-N
MW247.75 g/mol
LogP1.71
Rot. Bonds2

About 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride

1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride (PubChem CID 5337630) has the molecular formula C10H14ClNO2S and a molecular weight of 247.75 g/mol. Its IUPAC name is 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride.

Molecular Properties

Compound Name1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride
PubChem CID5337630
Molecular FormulaC10H14ClNO2S
Molecular Weight247.75 g/mol
Exact Mass247.04
IUPAC Name1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride
SMILESCl.O=S1(=O)CCC(Nc2ccccc2)C1
InChIInChI=1S/C10H13NO2S.ClH/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H
InChIKeyPLENVCPOHVISCH-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.75
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-Phenyltaurine
CID 446854
Thiomorpholine, 4-phenyl-, 1,1-dioxide
CID 87241
3-Anilino-2,3-dihydro-1H-1lambda~6~-thiophene-1,1-dione
CID 589052
2-(4-Aminophenyl)-1lambda6,2-thiazolidine-1,1-dione
CID 11816685
3-Anilinopropanesulphonic acid
CID 3018384
Thiol-aryl sulfone, 13
CID 25138253
Thiol-aryl sulfone, 16
CID 25138254
N-(1,1-dioxothiolan-3-yl)-N-butyl(phenylamino)carboxamide
CID 3772838
Thieno(3,4-b)quinoxaline, 1,3,3a,4,9,9a-hexahydro-, 2,2-dioxide
CID 3044067
N-Methyl-2-(methylsulfonyl)benzenamine
CID 14196351
(Phenylamino)methanesulfonate
CID 3761450
N-butyl-N-(1,1-dioxidotetrahydro-3-thienyl)-N'-phenylthiourea
CID 2896545

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
The IUPAC name of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride (CID 5337630) is 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride.
What is the SMILES notation for 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
The canonical SMILES for 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride is Cl.O=S1(=O)CCC(Nc2ccccc2)C1.
What is the InChIKey of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
The InChIKey is PLENVCPOHVISCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S.ClH/c12-14(13)7-6-10(8-14)11-9-4-2-1-3-5-9;/h1-5,10-11H,6-8H2;1H.
What are the key properties of 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride?
1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride has a molecular weight of 247.75 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-phenylthiolan-3-amine;hydrochloride is sourced from PubChem (CID 5337630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).